SCHEMBL25004775

SCHEMBL25004775

CNC(=O)c1ccc([C@H]2C[C@@H]2C(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
TRPV1 Q8NER1 2/20 0.45
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
PLK1 P53350 5/20 0.42
CA2 P00918 1/20 0.40
TLR2 O60603 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
EPHX2 P34913 1/20 0.40
MMP13 P45452 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25004767 0.82 KDM1A (0.48) HDAC8HDAC6TRPV1MAOAMAOB
SCHEMBL25005714 0.81 ALDH1A1 (0.48) HPGDTSHRHTTSMN1; SMN2CA2
SCHEMBL25004770 0.80 ALOX5 (0.43) TRPV1MAOAMAOBCA2TLR2
SCHEMBL23992998 0.77 MAOA (0.44) TRPV1HPGDSMN1; SMN2TRPM8MAOA
SCHEMBL23995263 0.74 PLK1 (0.50) HDAC2HDAC8HDAC6HPGDTSHR
SCHEMBL25004766 0.74 MAOA (0.58) HPGDHTTSMN1; SMN2MAOATLR2
SCHEMBL17664589 0.72 HDAC8 (0.59) HDAC2HDAC8HDAC6HPGDTSHR
SCHEMBL250247 0.72 HDAC6 (0.80) HDAC2HDAC8HDAC6HPGDTSHR
SCHEMBL25004706 0.70 KDM1A (0.52)
SCHEMBL23995488 0.70 MDM2 (0.49) TRPV1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230039553-A1 CD73 COMPOUNDS GILEAD SCIENCES, INC. 2023-02-09 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230039553-A1 CD73 COMPOUNDS ENTPD5, ENTPD1, NT5E HDAC2 2288/4885HDAC8 1275/4885HDAC6 2426/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.